1-[3-[4-[[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one

C24H33N5O3 — CID 129456351

IUPAC1-[3-[4-[[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCOc1ccc(CNC[C@]2(O)CCCN(c3cnccn3)C2)cc1
InChIInChI=1S/C24H33N5O3/c30-23-4-1-12-28(23)14-3-15-32-21-7-5-20(6-8-21)16-26-18-24(31)9-2-13-29(19-24)22-17-25-10-11-27-22/h5-8,10-11,17,26,31H,1-4,9,12-16,18-19H2/t24-/m1/s1
InChIKeyLOHUWLOHJXTQLO-XMMPIXPASA-N
MW439.56 g/mol
LogP1.99
Rot. Bonds10

About 1-[3-[4-[[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one

1-[3-[4-[[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one (PubChem CID 129456351) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 1-[3-[4-[[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-[[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one
PubChem CID129456351
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name1-[3-[4-[[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCOc1ccc(CNC[C@]2(O)CCCN(c3cnccn3)C2)cc1
InChIInChI=1S/C24H33N5O3/c30-23-4-1-12-28(23)14-3-15-32-21-7-5-20(6-8-21)16-26-18-24(31)9-2-13-29(19-24)22-17-25-10-11-27-22/h5-8,10-11,17,26,31H,1-4,9,12-16,18-19H2/t24-/m1/s1
InChIKeyLOHUWLOHJXTQLO-XMMPIXPASA-N
XLogP1.99
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-[4-[[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[[[4-(2-fluoroethoxy)phenyl]methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-ol
CID 129454274
1-[3-[4-[[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl-methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one
CID 132779553
3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
CID 132777867
(3R)-3-[[[4-(2-ethoxyethoxy)phenyl]methylamino]methyl]-1-pyrimidin-2-ylpiperidin-3-ol
CID 129458283
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110159152
(6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96579570
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123533
1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol
CID 111114650
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 124961649
(3R)-3-[[[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]methylamino]methyl]-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-ol
CID 129456919
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-imidazol-1-ylbutanamide
CID 124965049
3-[[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
CID 132778730

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[4-[[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one (CID 129456351) is 1-[3-[4-[[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[4-[[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[4-[[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one is O=C1CCCN1CCCOc1ccc(CNC[C@]2(O)CCCN(c3cnccn3)C2)cc1.
What is the InChIKey of 1-[3-[4-[[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one?
The InChIKey is LOHUWLOHJXTQLO-XMMPIXPASA-N. The full InChI is InChI=1S/C24H33N5O3/c30-23-4-1-12-28(23)14-3-15-32-21-7-5-20(6-8-21)16-26-18-24(31)9-2-13-29(19-24)22-17-25-10-11-27-22/h5-8,10-11,17,26,31H,1-4,9,12-16,18-19H2/t24-/m1/s1.
What are the key properties of 1-[3-[4-[[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one?
1-[3-[4-[[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one has a molecular weight of 439.56 g/mol, XLogP of 1.99, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one is sourced from PubChem (CID 129456351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).